(4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-N-pyridin-4-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Systemtic Name: (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-N-pyridin-4-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3-methyl-N-(4-pyridyl)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazinylidene]-3-methyl-N-pyridin-4-yl-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-4-[(4-chloro-3-nitrobenzoyl)hydrazinylidene]-3-methyl-N-pyridin-4-yl-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3-methyl-N-(4-pyridyl)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C22H18ClN5O5 MolecularWeight: 467.86182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CCC2)C(=O)NC4=CC=NC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/CCC2)C(=O)NC4=CC=NC=C4

InChI

InChI=1S/C22H18ClN5O5/c1-12-19-16(26-27-21(29)13-5-6-15(23)17(11-13)28(31)32)3-2-4-18(19)33-20(12)22(30)25-14-7-9-24-10-8-14/h5-11H,2-4H2,1H3,(H,27,29)(H,24,25,30)/b26-16+